Version2.2 2021-02-11T01:08:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H](CNC(=O)c2ccc(cc2)C(C)(C)C)N3CC[NH+](CC3)C C22778434 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H](CNC(=O)c2ccc(cc2)C(C)(C)C)N3CC[NH+](CC3)C C01[X(C25H36N3O1)] 189 C1 507 C[NH+]1CCN(CC1)[C@H](c1ccc(cc1)C)CNC(=O)c1ccc(cc1)C(C)(C)C C[NH+]1CCN(CC1)[C@H](c1ccc(cc1)C)CNC(=O)c1ccc(cc1)C(C)(C)C C[NH+]1CCN(CC1)[C@@H](CNC(=O)c2ccc(cc2)C(C)(C)C)c3ccc(C)cc3 InChIKey=AGFNSSWXMFKWPJ-QHCPKHFHSA-O InChI=1S/C25H35N3O/c1-19-6-8-20(9-7-19)23(28-16-14-27(5)15-17-28)18-26-24(29)21-10-12-22(13-11-21)25(2,3)4/h6-13,23H,14-18H2,1-5H3,(H,26,29)/p+1/t23-/m0/s1 InChI=1/C25H35N3O/c1-19-6-8-20(9-7-19)23(28-16-14-27(5)15-17-28)18-26-24(29)21-10-12-22(13-11-21)25(2,3)4/h6-13,23H,14-18H2,1-5H3,(H,26,29)/p+1/t23-/m0/s1/fC25H36N3O/h26-27H/q+1 Cc1ccc(cc1)[C@H](CNC(=O)c2ccc(cc2)C(C)(C)C)N3CC[NH+](CC3)C C01[X(C25H36N3O1)] 189 C01 507 C[NH+]1CCN(CC1)[C@H](c1ccc(cc1)C)CNC(=O)c1ccc(cc1)C(C)(C)C C[NH]1CCN(CC1)[C@H]([C]1[CH][CH][C]([CH][CH]1)C)CNC(=O)[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C C[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)[C]2[CH][CH][C]([CH][CH]2)C(C)(C)C)N3CC[NH](C)CC3 InChIKey=ZPVSCBXRKAFXSG-QHCPKHFHSA-N InChI=1S/C25H36N3O/c1-19-6-8-20(9-7-19)23(28-16-14-27(5)15-17-28)18-26-24(29)21-10-12-22(13-11-21)25(2,3)4/h6-13,23,27H,14-18H2,1-5H3,(H,26,29)/t23-/m0/s1 InChI=1/C25H36N3O/c1-19-6-8-20(9-7-19)23(28-16-14-27(5)15-17-28)18-26-24(29)21-10-12-22(13-11-21)25(2,3)4/h6-13,23,27H,14-18H2,1-5H3,(H,26,29)/t23-/m0/s1/f/h26H 2711.3363174342 -1205.7052857 1-A 19176.1326 107 400 507 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60181 -15.84914 -15.68232 -15.66432 -11.43710 -11.43353 -11.43062 -11.42687 -11.39030 -11.38395 -11.36487 -11.35114 -11.32601 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394.28584 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 14.0533 18.8439 24.8421 34.3258 40.9821 47.3858 50.9696 61.6805 75.5628 83.5676 95.4090 105.3321 160.1596 171.3595 182.7929 215.3106 220.9393 232.5221 242.9193 253.2652 265.8260 283.0498 303.5100 311.7745 322.1892 346.2061 356.7198 369.0433 371.6991 372.3722 383.5357 404.3490 429.2982 445.3159 451.2299 459.8975 461.7082 475.1461 485.4481 494.7101 508.2581 524.5169 531.5266 553.0910 600.0788 607.7689 616.7999 625.1084 695.1750 699.2064 709.0181 778.6616 794.0320 799.7485 812.8635 835.7712 866.5897 878.3183 901.8522 906.0239 912.2082 923.6258 950.4914 953.6061 962.0136 968.9958 994.3312 1013.7185 1021.4390 1053.0088 1061.5083 1072.2796 1083.8121 1091.6226 1094.7022 1096.4472 1103.5932 1109.1336 1114.5615 1116.8487 1121.2611 1128.7837 1141.3739 1146.3724 1149.5644 1153.5470 1176.0321 1180.7079 1194.4127 1202.2371 1214.7740 1229.3081 1237.1333 1269.2589 1273.3891 1288.0999 1294.2716 1306.1752 1309.3399 1312.8458 1321.2717 1328.3914 1338.1052 1350.2782 1352.1592 1368.8387 1390.8699 1414.2166 1414.6833 1427.7589 1453.5507 1462.7379 1466.1910 1473.4733 1479.8840 1509.8994 1526.7198 1529.7390 1543.2067 1549.3084 1556.1037 1558.4511 1569.4523 1570.3971 1578.5931 1579.7173 1588.0678 1588.9073 1600.4119 1608.4265 1622.7646 1630.3389 1631.0920 1633.8144 1635.0336 1637.8156 1638.6904 1641.8045 1642.9952 1648.1261 1651.2160 1652.4778 1657.9554 1666.8728 1667.9807 1681.7863 1691.7293 1710.0513 1756.7417 1771.1815 1816.8141 1822.7089 1902.4731 3122.9555 3133.0974 3205.0056 3206.3181 3209.9386 3215.2082 3216.8021 3260.1297 3264.9461 3267.8207 3269.4744 3273.0561 3273.6037 3277.4864 3278.5820 3280.2092 3283.2952 3287.2489 3292.0059 3335.7677 3337.5512 3340.4770 3342.2470 3347.7096 3355.7827 3356.2776 3359.3257 3364.5640 3366.9781 3368.2468 3377.0182 3385.4236 3409.2163 3416.9142 3685.9892 3907.8209 4.4910 3.5867 3.4745 1.1523 2.6290 3.7929 4.0050 3.4744 3.5071 3.9728 6.2625 4.7256 3.9044 3.6099 3.9257 3.4539 2.8766 2.4976 1.1512 1.7309 1.8994 1.7982 1.6850 2.1542 2.9191 3.3318 2.7375 1.1240 2.6922 2.4929 2.9238 2.8337 2.7398 2.2234 2.2877 2.9037 2.9169 1.9002 3.0759 2.6214 2.3854 2.6744 2.7006 4.4443 3.6701 2.6807 2.8478 3.3968 3.5152 6.9317 3.7994 3.6452 3.6019 3.4026 3.4344 2.7622 4.2837 3.6970 1.9610 2.5139 1.9325 3.2912 1.5289 1.8446 1.2523 1.6170 2.0795 1.7137 1.7121 1.1943 2.4109 2.6266 1.6541 1.8196 1.6886 1.6728 2.7115 1.3809 2.4132 2.4712 1.4481 2.5385 1.4441 1.4785 1.8289 1.3884 1.5487 2.2371 2.5394 1.9665 2.2831 2.2342 2.8949 2.5005 1.7065 2.7716 1.7810 1.5660 2.0019 1.2036 3.0765 1.2466 2.3166 2.6310 2.2630 2.5483 1.3795 2.1114 1.5909 1.8787 1.3622 1.3566 1.3349 1.2010 1.2194 1.2724 1.2475 1.5568 1.4866 1.5292 1.2336 1.3673 1.2513 1.8498 1.2476 1.5982 1.2195 1.3935 1.3162 1.3265 1.0777 1.0451 1.0494 1.0482 1.0933 1.0552 1.1060 1.0676 1.0610 1.0932 1.0699 1.1011 1.0512 1.1212 1.0662 1.9164 2.4405 2.1938 5.7325 5.2987 5.2971 5.4787 9.2146 1.0763 1.0752 1.0361 1.0359 1.0379 1.0374 1.0856 1.0325 1.1025 1.1039 1.1036 1.1035 1.0596 1.0596 1.1027 1.1026 1.1018 1.0649 1.1025 1.1025 1.1098 1.1100 1.0930 1.0888 1.0904 1.0898 1.1100 1.1101 1.0906 1.0956 1.0954 1.0894 1.0947 1.0925 1.0782 1.0791 0.0005 0.0008 0.0013 0.0008 0.0026 0.0050 0.0061 0.0078 0.0118 0.0163 0.0336 0.0309 0.0590 0.0625 0.0773 0.0943 0.0827 0.0796 0.0400 0.0654 0.0791 0.0849 0.0915 0.1234 0.1785 0.2353 0.2052 0.0902 0.2192 0.2037 0.2534 0.2730 0.2975 0.2598 0.2744 0.3618 0.3664 0.2528 0.4271 0.3780 0.3631 0.4335 0.4495 0.8010 0.7786 0.5834 0.6383 0.7821 1.0009 1.9966 1.1253 1.3022 1.3380 1.2822 1.3370 1.1368 1.8954 1.6804 0.9397 1.2158 0.9474 1.6542 0.8138 0.9883 0.6828 0.8945 1.2114 1.0376 1.0525 0.7803 1.6006 1.7794 1.1447 1.2775 1.1923 1.1849 1.9457 1.0009 1.7662 1.8161 1.0727 1.9057 1.1084 1.1448 1.4240 1.0885 1.2620 1.8375 2.1345 1.6747 1.9850 1.9893 2.6105 2.3735 1.6303 2.7095 1.7578 1.5741 2.0220 1.2222 3.1644 1.2960 2.4439 2.8263 2.4377 2.8132 1.5723 2.4881 1.8759 2.2564 1.6957 1.7101 1.6907 1.5363 1.5734 1.7091 1.7132 2.1464 2.0859 2.1626 1.7599 1.9566 1.8160 2.6878 1.8317 2.3499 1.8121 2.0728 1.9862 2.0219 1.6721 1.6367 1.6450 1.6485 1.7220 1.6677 1.7498 1.6956 1.6875 1.7496 1.7188 1.7715 1.7025 1.8354 1.7477 3.1935 4.1153 3.7797 10.4234 9.7937 10.3017 10.7242 19.6501 6.1846 6.2182 6.2707 6.2748 6.3006 6.3188 6.6184 6.4657 6.9247 6.9453 6.9504 6.9654 6.6900 6.7059 6.9834 6.9901 6.9981 6.7797 7.0397 7.2283 7.2838 7.2978 7.1939 7.1892 7.2345 7.2328 7.3806 7.4041 7.2844 7.3234 7.3604 7.3560 7.4967 7.5152 8.6309 9.7091 1.5456 2.6555 2.3767 0.6238 1.9027 2.6967 0.4016 1.2667 0.6726 0.1470 10.8764 2.4049 2.2434 3.3331 3.7125 0.5261 2.4816 0.7276 0.0451 1.8860 5.1674 2.3555 0.4795 4.7408 0.9261 0.3439 0.1003 1.5145 2.0404 11.3818 1.1177 12.2826 12.6776 8.3400 32.9360 1.6529 0.4847 35.4373 3.9263 4.6902 14.3488 4.5494 3.5812 22.0763 0.8380 15.8268 27.2254 0.8406 1.3980 1.0694 3.2222 3.8246 19.3284 6.4080 3.8296 13.9954 33.2542 8.1837 3.8401 1.9701 17.3401 7.0098 12.9833 15.0890 0.0297 12.5323 9.1466 1.8364 0.3743 0.1723 53.4857 17.6748 0.7174 4.0431 2.4078 15.9170 2.3555 0.9895 3.1465 4.1730 1.3719 11.5752 1.1586 6.5458 0.2657 0.0094 3.5248 4.5735 3.2092 9.1465 4.5699 0.4312 101.7424 39.3999 23.6148 16.1297 2.2127 15.6836 16.3523 9.7354 43.6327 29.9696 11.8106 1.7814 6.3240 6.5856 17.0413 13.4399 28.6812 294.0031 23.2379 10.9261 0.1911 4.7532 18.5820 4.1773 8.1989 23.7685 14.9623 2.1630 3.2780 24.5355 0.8030 10.6141 28.8245 53.8757 2.1493 12.9498 5.2356 2.3842 1.8133 6.2588 0.0011 0.0227 10.7469 1.0177 11.2934 27.2189 37.6169 14.5114 13.9389 20.1895 6.0808 15.6216 3.6694 208.6133 17.4513 275.3097 30.3181 1.2749 75.9577 9.4425 375.3897 10.3117 67.4696 26.6146 34.1272 30.8814 19.0759 21.0437 4.1029 21.7724 2.4529 5.8159 35.0415 9.2430 9.0961 34.1183 73.2658 88.2156 25.7508 18.8279 18.1953 7.3700 5.7748 4.4787 10.9989 10.9356 14.1647 2.5934 3.2582 18.8641 21.0549 11.8738 10.4830 7.2726 7.9141 41.0703 34.9815 2.2566 1.8208 0.6913 0.6442 1.6083 0.6774 2.3729 3.2512 3.8544 2.1755 0.7057 0.6221 0.2813 0.1181 2.0042 1.2938 1.6286 1.0406 0.0758 0.6336 0.8528 1.0354 0.4516 2.3732 0.7227 3.2383 0.4379 0.1198 0.4580 0.5654 0.9136 0.5304 0.3733 0.8180 0.9870 0.2680 0.0750 1.3896 0.5061 1.1321 0.9605 3.7378 3.3918 2.5661 1.5440 0.6172 1.7531 3.6850 3.3160 7.4046 6.0094 4.6228 4.0596 3.1147 13.8158 13.2748 3.5691 4.4795 16.3038 15.3149 3.9415 27.2710 2.5707 1.1053 2.4385 1.4275 3.7891 9.1186 7.7743 0.0275 4.5087 0.7103 0.9628 1.5088 0.6585 1.7628 1.4728 0.1637 1.0565 0.9101 0.2006 2.9321 4.8911 10.3170 2.3161 3.8904 0.1086 7.9736 11.9113 0.1759 4.1443 15.9107 11.9769 10.0109 3.3233 7.5875 0.5524 3.6633 21.4890 2.7616 18.1380 4.8152 4.1792 8.7235 3.0446 11.5603 20.8763 6.0443 6.4741 13.7841 2.9195 2.5398 2.9843 19.2575 17.5764 3.0162 1.4081 4.1752 1.7657 3.0128 1.6302 3.9605 18.0752 1.1422 7.7324 3.9526 1.7335 1.7710 1.9746 3.0005 4.3142 19.8361 14.4420 10.8004 17.7983 19.4392 15.8504 17.8238 16.0178 4.8325 20.0855 5.2424 19.6747 5.2136 2.7314 1.5059 1.4016 10.3738 6.3565 5.6327 203.1336 60.6684 71.9488 7.3654 80.3363 2.3019 1.5638 175.3526 306.1004 29.5355 50.6440 101.2654 11.9698 24.0079 33.6154 37.3631 160.1314 59.9972 160.7027 136.6649 52.9838 62.1094 50.2474 27.0534 77.1839 55.8044 32.5301 111.2061 47.5130 73.7627 52.6835 52.6505 91.7949 135.6654 52.5184 67.6122 90.5789 26.9531 24.9833 0.7282 0.7492 0.7428 0.7452 0.7468 0.7397 0.7384 0.7479 0.7492 0.7125 0.7465 0.7048 0.0941 0.7472 0.5809 0.2618 0.4880 0.2061 0.2245 0.4415 0.4180 0.4781 0.5581 0.2313 0.6768 0.6154 0.5031 0.7500 0.7495 0.6444 0.7478 0.5684 0.4655 0.1580 0.7471 0.6774 0.3539 0.2517 0.4665 0.5920 0.1748 0.2329 0.5621 0.6350 0.3620 0.6776 0.1674 0.0790 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8012.9505 26269.1790 32379.8539 0.99996 -0.00883 0.00147 0.00882 0.99996 0.00304 -0.00150 -0.00303 0.99999 1 0.01081 0.00330 0.00267 0.22523 0.06870 0.05574 20.22 27.11 35.74 49.39 58.96 68.18 73.33 88.74 108.72 120.24 137.27 151.55 230.43 246.55 263.00 309.78 317.88 334.55 349.51 364.39 382.46 407.25 436.68 448.57 463.56 498.11 513.24 530.97 534.79 535.76 551.82 581.77 617.66 640.71 649.22 661.69 664.30 683.63 698.45 711.78 731.27 754.66 764.75 795.77 863.38 874.44 887.44 899.39 1000.20 1006.00 1020.12 1120.32 1142.43 1150.66 1169.53 1202.49 1246.83 1263.70 1297.56 1303.57 1312.46 1328.89 1367.55 1372.03 1384.12 1394.17 1430.62 1458.51 1469.62 1515.04 1527.27 1542.77 1559.36 1570.60 1575.03 1577.54 1587.82 1595.80 1603.61 1606.90 1613.24 1624.07 1642.18 1649.37 1653.97 1659.70 1692.05 1698.78 1718.49 1729.75 1747.79 1768.70 1779.96 1826.18 1832.12 1853.29 1862.17 1879.29 1883.85 1888.89 1901.02 1911.26 1925.23 1942.75 1945.46 1969.45 2001.15 2034.74 2035.41 2054.23 2091.34 2104.55 2109.52 2120.00 2129.22 2172.41 2196.61 2200.95 2220.33 2229.11 2238.89 2242.26 2258.09 2259.45 2271.24 2272.86 2284.88 2286.08 2302.64 2314.17 2334.80 2345.69 2346.78 2350.69 2352.45 2356.45 2357.71 2362.19 2363.90 2371.29 2375.73 2377.55 2385.43 2398.26 2399.85 2419.72 2434.02 2460.38 2527.56 2548.34 2613.99 2622.47 2737.23 4493.24 4507.83 4611.29 4613.18 4618.39 4625.97 4628.26 4690.60 4697.53 4701.67 4704.04 4709.20 4709.99 4715.57 4717.15 4719.49 4723.93 4729.62 4736.46 4799.43 4801.99 4806.20 4808.75 4816.61 4828.22 4828.93 4833.32 4840.86 4844.33 4846.16 4858.78 4870.87 4905.10 4916.18 5303.32 5622.48 0.620535 0.647775 0.648720 0.559479 -1205.084751 -1205.057510 -1205.056566 -1205.145806 2.993124D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE Cc1ccc(cc1)[C@H](CNC(=O)c2ccc(cc2)C(C)(C)C)N3CC[NH+](CC3)C C22778434 RHF 6-31G(d) (6D,10F) C1 394.285838 |X|Y|Z| 119.776450 64.139913 26.748986 59.011372 22 6 7 19 3 |36.858105| |12.613130|36.858105| |7.534295|13.763097|36.858105| |5.000339|7.885005|13.699828|36.858105| |4.399313|6.755375|7.885070|13.764371|36.858105| |5.014745|7.880299|6.912358|7.996556|13.638431|36.858105| |7.546858|13.643408|8.001274|6.917668|7.887046|13.814668|36.858105| |3.256969|4.390581|5.004976|7.564128|12.539151|7.473624|4.990948|36.858105| |3.047261|3.995571|4.841021|7.482202|9.007403|5.593855|4.205598|17.542748|0.500000| |2.911288|3.744335|4.025049|5.326732|7.542809|6.119628|4.342916|12.303563|0.247166|36.858105| |2.770233|3.465597|3.845928|4.951155|5.893293|4.767403|3.760958|7.646923|0.208790|13.206994|53.358707| |2.397615|2.905739|3.280077|4.138196|4.551384|3.691089|3.046163|5.976235|0.188499|7.852395|19.126817|36.858105| |2.225417|2.680770|3.017721|3.817270|4.242202|3.438220|2.822835|5.952150|0.195319|7.041885|11.628847|15.747985|73.516695| |2.223442|2.609733|2.941934|3.512085|3.608734|3.046663|2.653014|4.217056|0.131473|5.042098|10.650411|12.765507|14.308739|36.858105| |2.003524|2.308906|2.619908|3.075669|3.066164|2.599234|2.307494|3.542972|0.113367|3.904915|7.085303|7.699877|11.986544|13.689407|36.858105| |1.848333|2.080833|2.335507|2.642810|2.587690|2.254481|2.055138|2.861802|0.089050|3.107588|5.383579|5.077228|8.074420|7.920623|13.825301|36.858105| |1.849052|2.056575|2.274141|2.512736|2.459735|2.192275|2.028535|2.640067|0.079764|2.919068|5.074805|4.418322|6.730683|6.754572|7.856209|13.621786|36.858105| |2.017739|2.261681|2.476759|2.738000|2.719660|2.444905|2.253364|2.894365|0.085626|3.326117|6.042565|5.011569|7.116906|7.904275|6.908570|8.005475|13.700437|36.858105| |2.229219|2.569848|2.831241|3.237634|3.302045|2.911472|2.605525|3.614942|0.106825|4.381949|8.888510|7.513763|9.399886|13.745213|7.984065|6.922515|7.865193|13.739647|36.858105| |1.664694|1.812836|1.982194|2.136458|2.075346|1.884116|1.775711|2.184787|0.065232|2.366443|3.914039|3.257520|5.184453|4.371848|4.981607|7.492536|12.390157|7.402211|4.948775|36.858105| |1.489790|1.618398|1.754091|1.895419|1.866998|1.706324|1.601147|1.992745|0.059222|2.160482|3.484370|2.929445|4.841310|3.756004|4.386750|6.224992|7.581052|5.278197|4.007294|12.359301|36.858105| |1.646166|1.769927|1.904205|2.014175|1.963024|1.817883|1.735456|2.027265|0.059343|2.212673|3.616177|2.874072|4.529364|3.688887|3.827330|4.938134|7.459378|6.592019|4.456582|12.400921|7.648947|36.858105| |1.663221|1.797042|1.986782|2.120490|2.013491|1.817241|1.730902|2.090536|0.063075|2.193703|3.558120|2.929979|4.750301|3.758729|4.383843|6.224988|7.582742|5.271728|4.006769|12.359203|7.563995|7.649708|36.858105| |2.881170|3.707005|3.999368|5.330200|7.580164|6.057630|4.292317|12.855620|0.252404|7.732222|7.024594|4.524679|8.797980|3.370744|2.978322|2.461119|2.261646|2.425695|2.921475|1.915895|1.787107|1.781203|1.838821|53.358707| |3.024014|3.856049|4.126041|5.224384|6.663828|5.711369|4.366896|7.640922|0.180323|5.041902|5.239628|3.477823|6.627102|2.779363|2.536140|2.157941|1.995341|2.111210|2.465068|1.725812|1.611981|1.612891|1.683875|17.906344|36.858105| |2.562330|3.087897|3.165228|3.706959|4.464902|4.270443|3.503490|5.017987|0.123425|3.955038|4.244147|2.890868|5.581911|2.371816|2.198596|1.901702|1.766046|1.855203|2.130201|1.549212|1.468087|1.454650|1.507557|10.694491|12.523147|36.858105| |2.176877|2.570081|2.686937|3.157977|3.676630|3.399413|2.836791|4.415232|0.115378|3.687006|4.075550|2.901868|5.838458|2.380842|2.249534|1.937153|1.774525|1.840346|2.103756|1.557158|1.494069|1.448374|1.511463|9.020853|7.651231|12.673810|53.358707| |2.142655|2.519030|2.688960|3.168516|3.552010|3.189564|2.707116|4.224214|0.116099|3.447355|3.935935|2.862654|5.806717|2.374599|2.282258|1.967127|1.785925|1.832446|2.080860|1.570450|1.506867|1.451118|1.537444|8.077048|7.118117|9.341144|25.694069|0.500000| |2.127643|2.535069|2.671911|3.218200|3.850937|3.479041|2.821074|5.083723|0.132395|4.498032|4.843056|3.501667|7.353726|2.768145|2.586220|2.179949|1.979148|2.062180|2.398071|1.711668|1.648213|1.581843|1.639122|10.645106|6.649916|7.706767|17.239196|0.259684|36.858105| |2.391027|2.939526|3.208170|4.106538|5.063884|4.179896|3.249557|7.877296|0.211105|6.255614|6.430938|4.644961|10.114536|3.441628|3.150823|2.567379|2.300462|2.413354|2.882167|1.946180|1.845854|1.781527|1.863151|17.840120|8.077643|6.706647|10.495017|0.199501|12.555993|36.858105| |1.920608|2.203654|2.257703|2.558045|2.909212|2.799899|2.423022|3.329602|0.087420|2.958220|3.375129|2.417260|4.791986|2.042367|1.947260|1.708487|1.578636|1.630826|1.835935|1.404207|1.360036|1.314584|1.362348|6.101210|4.977986|7.663165|17.425427|0.260433|7.655829|4.995378|36.858105| |17.549129|8.853525|5.932869|4.316061|3.953600|4.579368|6.643153|3.020793|0.078260|2.814492|3.703229|2.341517|3.819952|2.199182|1.967694|1.830225|1.856405|2.046811|2.249402|1.678194|1.497284|1.680178|1.666701|3.618207|2.713900|2.337012|2.742038|0.054756|1.996388|2.232314|1.793782|0.500000| |17.554609|8.844103|5.821138|4.268875|3.945051|4.616218|6.785019|3.010099|0.077648|2.683688|3.410260|2.189647|3.668908|2.019497|1.834424|1.693976|1.687272|1.828033|2.011890|1.527996|1.381768|1.509818|1.524823|3.767597|2.979348|2.587609|2.959496|0.059231|2.090119|2.302254|1.940200|0.302345|0.500000| |17.590817|8.839316|7.219006|4.731312|3.938073|4.167617|5.566306|3.010051|0.080606|2.676316|3.542795|2.302562|3.809867|2.169041|1.982592|1.844902|1.843585|1.990271|2.170575|1.671735|1.490777|1.649637|1.691591|3.624986|2.806614|2.384232|2.801365|0.056984|2.007311|2.258867|1.819561|0.301897|0.301732|0.500000| |6.968040|8.930596|17.712597|8.933172|5.635673|4.972198|5.665890|4.096402|0.115493|3.401741|4.594633|2.996558|4.923336|2.781068|2.537050|2.302698|2.246464|2.411152|2.690515|1.982862|1.745843|1.904088|2.022513|4.604625|3.516011|2.788763|3.302511|0.068397|2.401074|2.843380|2.067017|0.153994|0.149699|0.220851|0.500000| |4.088462|5.635844|8.935851|17.701897|8.924384|5.661828|4.974120|7.024258|0.231744|4.999090|6.741938|4.436760|7.369077|3.810819|3.424726|2.909033|2.703654|2.886128|3.396699|2.281056|2.015189|2.110910|2.293154|6.847574|4.869262|3.508843|4.243590|0.089122|3.207313|4.175758|2.515015|0.100210|0.098891|0.112949|0.217134|0.500000| |4.099930|5.629110|4.970670|5.663577|8.871367|17.692976|8.974664|6.905490|0.139707|6.363888|6.312458|3.588988|6.037228|2.928586|2.492377|2.161259|2.104355|2.351646|2.804538|1.812571|1.660038|1.754089|1.729751|8.577668|5.648635|4.520314|4.871218|0.090325|3.724792|4.322899|2.979819|0.107947|0.109174|0.096037|0.107819|0.124094|0.500000| |7.011621|8.895165|5.671109|4.973790|5.628829|8.964435|17.699142|4.076685|0.096511|3.751228|4.451157|2.690408|4.461754|2.376687|2.080578|1.874879|1.865796|2.071933|2.365395|1.651464|1.499357|1.629364|1.604183|5.043189|3.785585|3.228083|3.578750|0.069036|2.599538|2.891931|2.305656|0.186897|0.194841|0.140573|0.124290|0.107858|0.217700|0.500000| |2.528840|3.139339|3.324351|4.211146|5.566122|4.834409|3.611911|8.747270|0.198130|17.676940|12.659728|7.345661|13.562180|4.734241|3.795475|3.015087|2.796346|3.127724|4.037443|2.282934|2.130637|2.122819|2.099623|10.334784|4.825773|4.042859|5.407464|0.101198|5.231322|7.167755|3.199516|0.068069|0.065948|0.065061|0.080167|0.113107|0.146598|0.089845|0.500000| |3.101927|3.996873|4.050501|5.044513|7.326711|7.121037|4.922435|8.779306|0.176274|17.634435|12.616541|5.812096|9.110581|4.260395|3.344082|2.774383|2.688639|3.111118|4.002398|2.221471|2.025933|2.124598|2.055290|8.783795|4.624872|3.757610|4.608958|0.086607|3.968322|5.007009|2.799586|0.084703|0.079564|0.077371|0.093554|0.123949|0.225534|0.120492|0.305087|0.500000| |2.978230|3.717204|4.104813|5.085864|5.744256|4.830993|3.968368|6.303452|0.170400|9.026425|26.113009|9.341416|10.902594|7.362639|4.886867|3.917407|3.877832|4.846960|7.259691|2.994191|2.597838|2.827773|2.719617|5.942149|3.462206|2.824574|3.626991|0.071756|3.056808|3.890094|2.244775|0.082601|0.073477|0.077613|0.100251|0.138011|0.126738|0.095625|0.182628|0.227324|0.500000| |1.952367|2.257252|2.575933|3.062764|3.061100|2.564186|2.259197|3.635010|0.119613|3.854850|6.572473|7.204526|13.410852|8.939422|17.750189|8.936118|5.611089|4.973115|5.674126|4.075628|3.794818|3.207418|3.787452|4.263842|2.670805|2.320010|3.291458|0.068964|2.800693|3.440634|2.078932|0.052708|0.050032|0.053747|0.069290|0.096194|0.068434|0.056475|0.106568|0.089939|0.120645|0.500000| |1.716798|1.914651|2.146685|2.407311|2.340959|2.049269|1.881834|2.577972|0.080354|2.728281|4.521439|4.154769|7.017133|5.659782|9.023608|17.741436|8.874627|5.667797|4.979910|6.975431|6.552129|4.504727|6.548835|3.089042|2.022224|1.800677|2.517945|0.052585|2.063935|2.395827|1.643547|0.047026|0.043986|0.047882|0.059336|0.073920|0.054626|0.047890|0.074343|0.067974|0.090494|0.217755|0.500000| |1.981492|2.187461|2.354244|2.541552|2.525469|2.325527|2.178917|2.624515|0.076048|3.010593|5.270896|4.099608|5.965137|5.662226|4.975849|5.662515|8.884782|17.776360|9.014235|6.813254|4.905156|7.612559|4.886028|3.025845|1.956480|1.733151|2.323726|0.047019|1.895257|2.184741|1.526307|0.056528|0.049866|0.054233|0.063833|0.073090|0.062356|0.056278|0.078517|0.080576|0.120135|0.107959|0.123977|0.500000| |2.365418|2.737790|2.950089|3.340519|3.493349|3.162830|2.825266|3.745547|0.106068|4.760385|9.733257|6.853133|8.600206|8.874374|5.650172|4.978543|5.636729|8.987303|17.715131|4.059726|3.388294|3.933849|3.378173|4.081943|2.514934|2.173299|2.880521|0.057485|2.408584|2.877274|1.850477|0.067125|0.059105|0.063109|0.076580|0.094051|0.085384|0.071636|0.119094|0.126544|0.245537|0.124198|0.107993|0.220506|0.500000| |1.470219|1.600610|1.720111|1.863502|1.861407|1.713239|1.599958|2.000258|0.058859|2.206813|3.558278|2.984347|4.924754|3.800224|4.268527|5.652230|6.905174|5.359468|4.129820|8.738586|17.554482|6.911224|5.484714|2.451112|1.612328|1.475594|2.048088|0.041903|1.671854|1.863359|1.373841|0.041171|0.037973|0.040589|0.047142|0.054531|0.046690|0.041791|0.061020|0.057738|0.073396|0.102223|0.154477|0.141148|0.098378|0.500000| |1.399728|1.505556|1.622925|1.733980|1.701549|1.568053|1.484526|1.797195|0.053106|1.929871|3.057105|2.516483|4.194968|3.110388|3.535380|4.682418|5.503487|4.225053|3.320661|8.781913|17.550137|7.071837|6.905588|2.212210|1.481206|1.357106|1.876631|0.038652|1.507818|1.672346|1.263459|0.039150|0.036171|0.039030|0.045102|0.050992|0.042385|0.038812|0.052834|0.050709|0.063550|0.087595|0.139090|0.114540|0.080624|0.301288|0.500000| |1.471029|1.605045|1.750525|1.907041|1.877300|1.701431|1.587764|2.025819|0.060816|2.174609|3.484091|2.992672|5.065089|3.798393|4.712383|6.805554|6.845515|4.707813|3.812463|8.688441|17.573960|5.510518|6.867972|2.488845|1.650201|1.504660|2.101837|0.043491|1.707346|1.913379|1.403932|0.040783|0.038000|0.040943|0.048421|0.056818|0.045965|0.041166|0.059999|0.056005|0.070947|0.117157|0.228654|0.116244|0.088746|0.301805|0.302302|0.500000| |1.769293|1.895229|2.041430|2.138196|2.062592|1.913426|1.842546|2.095441|0.061187|2.276870|3.737236|2.902867|4.505980|3.696332|3.703681|4.575907|6.724538|6.692565|4.589975|8.708953|5.507497|17.554080|6.939051|2.479438|1.654975|1.482393|1.990327|0.040673|1.588475|1.797981|1.322651|0.050435|0.044746|0.049403|0.056985|0.062058|0.050892|0.047959|0.059789|0.061162|0.082931|0.086142|0.113589|0.230921|0.115200|0.140514|0.142987|0.122238|0.500000| |1.526794|1.625278|1.740587|1.825011|1.774061|1.653137|1.589278|1.823631|0.053259|1.966829|3.144772|2.483066|3.992482|3.074873|3.231775|4.072988|5.467786|4.802480|3.558822|8.838015|7.046492|17.566848|7.054913|2.207818|1.483258|1.347564|1.829292|0.037472|1.457892|1.625850|1.227881|0.043273|0.039097|0.042663|0.048613|0.053052|0.044372|0.041662|0.052683|0.052658|0.067742|0.077806|0.108911|0.148391|0.089326|0.171459|0.215816|0.143232|0.302582|0.500000| |1.617948|1.743103|1.855962|1.968423|1.948285|1.820120|1.729757|2.024072|0.058620|2.249321|3.674274|2.900352|4.556956|3.691199|3.702454|4.573284|6.716663|6.689497|4.584535|8.709164|6.945899|17.556440|5.508088|2.429828|1.605607|1.455280|1.974548|0.040141|1.593613|1.786278|1.320739|0.046054|0.041354|0.044671|0.051030|0.056728|0.049237|0.045353|0.060397|0.060419|0.079704|0.086178|0.113578|0.232128|0.115413|0.206440|0.174654|0.140551|0.300603|0.302643|0.500000| |1.642887|1.784715|1.989690|2.144766|2.031399|1.814938|1.718197|2.132229|0.065151|2.209787|3.560549|2.993816|4.959169|3.802148|4.709903|6.807700|6.848589|4.704083|3.812799|8.688462|6.866399|5.510723|17.573125|2.566929|1.730102|1.548641|2.128964|0.044478|1.697148|1.933449|1.406670|0.045339|0.041973|0.046495|0.056340|0.065235|0.047945|0.044063|0.059085|0.056839|0.074263|0.116894|0.228528|0.115922|0.088519|0.140104|0.170076|0.204393|0.140484|0.143310|0.122246|0.500000| |1.542767|1.648305|1.804740|1.903895|1.811845|1.654042|1.587661|1.868972|0.055872|1.953739|3.107179|2.516833|4.134650|3.111953|3.534059|4.682905|5.504039|4.221256|3.320157|8.781412|6.907204|7.069977|17.550619|2.265524|1.537218|1.388558|1.895486|0.039328|1.500784|1.685391|1.265362|0.043057|0.039488|0.043666|0.051181|0.056713|0.043894|0.041169|0.052210|0.051310|0.065854|0.087484|0.139080|0.114200|0.080438|0.140822|0.207262|0.170193|0.174322|0.216045|0.143033|0.302324|0.500000| |1.796547|1.936791|2.156503|2.282157|2.133716|1.920925|1.843947|2.179445|0.065825|2.268296|3.695793|2.984533|4.762615|3.803855|4.262192|5.649353|6.904503|5.346573|4.127778|8.737528|5.484325|6.914130|17.551260|2.578444|1.741872|1.546278|2.089822|0.043391|1.655401|1.893871|1.377748|0.050091|0.045396|0.051062|0.061541|0.068738|0.050310|0.047267|0.059417|0.059268|0.079850|0.101865|0.154303|0.140129|0.097811|0.122416|0.140816|0.140095|0.206308|0.171800|0.140497|0.301727|0.301313|0.500000| |2.947360|3.704921|4.167523|5.313226|5.973429|4.822324|3.928099|6.661705|0.182088|4.420072|4.921324|3.394404|6.537221|2.763874|2.581903|2.200331|2.011911|2.097947|2.424233|1.745070|1.628168|1.617318|1.723286|12.199264|17.403199|8.844946|9.321722|0.207643|5.813285|7.234360|4.584422|0.072728|0.080145|0.077987|0.101830|0.147220|0.125452|0.093905|0.116706|0.109877|0.090991|0.076588|0.057801|0.053705|0.067527|0.044883|0.041596|0.046577|0.046085|0.041414|0.044372|0.049573|0.043655|0.049600|0.500000| |3.553960|4.678022|4.811644|5.871904|7.668723|7.239483|5.502859|7.023605|0.159521|4.779774|5.033647|3.236360|5.919851|2.643495|2.389135|2.060579|1.935023|2.065977|2.401645|1.682955|1.560585|1.589497|1.646006|12.410082|17.675336|9.047378|7.629493|0.145330|4.960266|5.754122|4.155330|0.086846|0.098412|0.089585|0.109885|0.140555|0.190808|0.129773|0.121277|0.129366|0.095631|0.068639|0.053455|0.053726|0.068946|0.043316|0.039985|0.044058|0.045641|0.040641|0.043934|0.046637|0.041851|0.047632|0.303039|0.500000| |2.524734|2.972175|3.025372|3.415464|3.903118|3.800909|3.291127|4.109038|0.104615|3.295435|3.682230|2.531030|4.829543|2.131658|2.000140|1.754325|1.635433|1.707355|1.933523|1.449743|1.374836|1.365235|1.422071|7.681286|8.784308|17.615996|12.367313|0.226258|5.621472|5.011417|7.108740|0.063409|0.071995|0.065762|0.075278|0.090143|0.108767|0.085303|0.091953|0.088163|0.069402|0.058524|0.046476|0.044535|0.054622|0.038240|0.035500|0.039135|0.038701|0.035317|0.037811|0.040596|0.036562|0.040583|0.214238|0.214200|0.500000| |2.538459|3.037843|3.011446|3.456754|4.280684|4.376978|3.571436|4.730715|0.111937|3.985333|4.199861|2.805362|5.336231|2.305461|2.111168|1.834856|1.722129|1.825877|2.100093|1.513072|1.436046|1.432150|1.461103|9.678642|8.845280|17.631627|12.426233|0.182242|6.995785|5.865777|7.116399|0.065154|0.071678|0.064671|0.073152|0.088891|0.136984|0.093965|0.114745|0.109436|0.078044|0.061146|0.048032|0.047711|0.060267|0.040328|0.036910|0.040669|0.040546|0.036843|0.040041|0.041432|0.037468|0.041581|0.173302|0.216639|0.299606|0.500000| |1.915579|2.243374|2.376601|2.820380|3.249781|2.935465|2.448354|4.173504|0.114184|3.848364|4.387724|3.303459|7.094130|2.671582|2.557360|2.166229|1.948728|2.002832|2.301297|1.694436|1.650930|1.555945|1.622922|7.656561|4.980170|5.621491|12.357577|0.226673|17.618458|8.789688|7.089186|0.050197|0.052212|0.050696|0.060371|0.079604|0.086033|0.063100|0.124714|0.094253|0.077301|0.078055|0.057598|0.050990|0.063388|0.046552|0.041980|0.047852|0.043085|0.039973|0.043539|0.046951|0.041373|0.045175|0.130797|0.109161|0.126812|0.143079|0.500000| |2.105752|2.496984|2.568586|3.041406|3.718620|3.519858|2.843045|4.784397|0.118622|4.557021|4.793149|3.369394|6.868259|2.674636|2.456956|2.087904|1.923327|2.027453|2.362382|1.667376|1.607952|1.556229|1.583036|9.630988|5.826754|6.984701|12.406999|0.182205|17.631230|8.830562|7.106260|0.055412|0.057702|0.054625|0.063689|0.082240|0.109060|0.074045|0.151974|0.116368|0.084536|0.072522|0.054576|0.052198|0.066939|0.045633|0.040920|0.045944|0.043421|0.039831|0.043865|0.045176|0.040379|0.044382|0.134036|0.130076|0.142981|0.208966|0.299480|0.500000| |2.270650|2.768358|3.016557|3.833496|4.681361|3.896170|3.052212|7.414922|0.204945|7.180357|7.529499|5.702727|13.556832|3.994746|3.597403|2.855668|2.534971|2.672370|3.254517|2.110902|2.010368|1.919418|1.990076|12.348315|5.752856|4.962963|7.630409|0.146282|8.975709|17.675969|4.141702|0.059769|0.060176|0.059678|0.074791|0.109280|0.112843|0.075970|0.262098|0.150297|0.120406|0.109672|0.073195|0.066459|0.089770|0.056816|0.050134|0.057987|0.053467|0.048330|0.053796|0.057347|0.049720|0.055798|0.146573|0.127309|0.109318|0.129630|0.213492|0.212525|0.500000| |2.344090|2.859613|3.214410|4.132883|4.724373|3.778135|3.044769|6.825605|0.214817|5.186160|5.882810|4.474720|9.908361|3.423595|3.252474|2.646883|2.330150|2.397013|2.822489|1.976714|1.873825|1.789147|1.919005|12.257846|7.318847|5.916333|9.471660|0.212223|8.871688|17.405272|4.623728|0.060308|0.062494|0.062536|0.080825|0.122872|0.103843|0.074717|0.153545|0.116379|0.100930|0.101433|0.069505|0.059853|0.076577|0.052016|0.047183|0.054434|0.050116|0.045481|0.049357|0.055923|0.048127|0.054213|0.220623|0.147047|0.132817|0.135683|0.213818|0.173278|0.305524|0.500000| |1.910869|2.186196|2.201443|2.474090|2.860181|2.831654|2.446167|3.248507|0.083228|2.979287|3.362187|2.373660|4.648758|2.004976|1.890648|1.663489|1.550579|1.614580|1.821160|1.380020|1.337282|1.300510|1.330341|5.902335|4.619354|6.970507|12.350621|0.181506|6.961598|4.629039|17.650125|0.049953|0.053798|0.049852|0.055630|0.066580|0.085875|0.065566|0.090375|0.079991|0.062302|0.055485|0.044229|0.042195|0.051468|0.037710|0.034527|0.038159|0.036360|0.033724|0.036475|0.037948|0.034371|0.037361|0.112844|0.111291|0.173259|0.213828|0.172671|0.213337|0.110522|0.113517|0.500000| |1.761120|2.005474|2.072321|2.346689|2.627561|2.497356|2.177335|3.039453|0.081722|2.760941|3.222192|2.358482|4.738470|2.009583|1.940732|1.706458|1.567321|1.605777|1.797401|1.398023|1.364969|1.302758|1.355685|5.355116|4.148866|5.585647|12.320940|0.224105|7.066449|4.649245|17.643630|0.045946|0.049127|0.046690|0.053248|0.065054|0.073200|0.057511|0.083939|0.071811|0.059358|0.058023|0.045899|0.041639|0.049929|0.038330|0.035234|0.039330|0.036218|0.033869|0.036366|0.039037|0.035025|0.037871|0.110361|0.096964|0.145029|0.144384|0.216651|0.176696|0.111492|0.123297|0.299284|0.500000| 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